Basic information
- Standard SMILES
Nc1ccc(Br)nc1- InChIKey
XTHKRYHULUJQHN-UHFFFAOYSA-N- Molecular formula
- C5H5BrN2
- Average molar mass
- 173.01 g/mol
- Monoisotopic mass
- 171.96361026
Names & identifiers
- Preferred name
- 6-Bromopyridin-3-amine
- IUPAC
- 6-bromopyridin-3-amine
- English name
- 5-Amino-2-bromopyridine
- Molecular formula
- C5H5BrN2
- Molecular weight
- 173.01
Names & synonyms
6-bromopyridin-3-amine5-Amino-2-bromopyridine3-pyridinamine, 6-bromo-RefChem:541276628-541-3InChI=1/C5H5BrN2/c6-5-2-1-4(7)3-8-5/h1-3H,7H13534-97-93-Amino-6-bromopyridine2-bromo-5-aminopyridine6-bromo-3-pyridinamineMFCD016461162-Bromo-5-pyridinamine
Show more names
5-BROMO-PYRIDIN-2-YLAMINE2-Bromo-5AKOS BBS-00004444TIMTEC-BB SBB003823TIMTEC-BB SBB005540LABOTEST-BB LT00129606
6-bromopyridine-3-aminePyridine, 3-amino-6-bromo-DTXSID20349069AKOS000275941PB172246-bromo-3-pyridylamineA1890EN300-53250
Database identifiers
- CAS
13534-97-9- PubChem CID
- 642811
- DTXSID
DTXSID20349069- UNII
- 2BU6KLB687
- EC Number
- 628-541-3
- Nikkaji
- J81.636A
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 76.8
Physicochemical properties
- Melting point
- 75 °C · 75 °C
- Boiling point
- 180 °C · 180 °C
- Density
- 1.6065 · 1.6065 (rough estimate)
- refractive index
- 1.5182 · 1.5182 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- pka
- 1.87 · 1.87±0.10(Predicted)
- form
- Powder
- color
- Beige to brown-black
- BRN
- 109102 · 109102
- InChI
- InChI=1S/C5H5BrN2/c6-5-2-1-4(7)3-8-5/h1-3H,7H2
- InChIKey
- XTHKRYHULUJQHN-UHFFFAOYSA-N
- SMILES
- C1=NC(Br)=CC=C1N
- CAS DataBase Reference
- 13534 · 13534-97-9(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn,Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-37/39
- RIDADR
- 2811 · UN 2811 6.1/PG 3
- WGK Germany
- 3 · 3
- F
- 10 · 10
- HazardClass
- IRRITANT
- PackingGroup
- III
- HS Code
- 29333990 · 29333990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29333990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-36-37/39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses3-Amino-6-bromopyridine may undergo polymerization via Buchwald–Hartwig amination in the presence of sodium tert-butoxide and XPhos(2-dicyclohexylphosphino-2′,4′,6′-triisopropylbiphenyl) ligand yielding para-linked and meta-linked polyaminopyridines.
General Description3-Amino-6-bromopyridine can be synthesized via bromination of 3-aminopyridine using N-bromosuccinimide in acetonitrile.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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